Products 3946-10-9

CAS 3946-10-9 is the registry number for 4-Pregnen-17alpha,20alpha,21-triol-3-one. Offered by: Biosynth. Available pack sizes: 2mg, 5mg, 10mg, 25mg.

4-Pregnen-17alpha,20alpha,21-triol-3-one
Biosynth
  • size: 2mg, 5mg, 10mg, 25mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one (CAS 3946-10-9) is a chemical compound with the molecular formula C21H32O4 and a molecular weight of 348.5 g/mol. IUPAC name: (8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one. InChIKey: XNFSGLNHLVHCFT-MQWPULPWSA-N.

Identity
Molecular formulaC21H32O4
Molecular weight348.5 g/mol
IUPAC name(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChIKeyXNFSGLNHLVHCFT-MQWPULPWSA-N
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C

Computed by PubChem (NCBI)

Synonyms: (20S)-17,20,21-Trihydroxypregn-4-en-3-one, XNFSGLNHLVHCFT-MQWPULPWSA-N, 4-Pregnen-17alpha,20alpha,21-triol-3-one, 17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one
Related forms of this compound
(8R,9S,10R,13S,14S,17R)-17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O4
Isomers (same molecular formula)
(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O4
(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O4
1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone C21H32O4
(3R,5R,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O4
methyl (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3,7-dimethylnona-2,4,6,8-tetraenoate C21H32O4
(5R,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O4
2-tridecoxycarbonylbenzoic acid C21H32O4
(5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O4
(5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C21H32O4
1-O-benzyl 6-O-(2-ethylhexyl) hexanedioate C21H32O4
6-O-benzyl 1-O-octyl hexanedioate C21H32O4